Chemical elements
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    PDB 12ca-1dr4
      12ca
      1a42
      1ad2
      1afj
      1am6
      1ao7
      1arm
      1aro
      1avn
      1b3q
      1b5t
      1bh9
      1bic
      1biq
      1bn1
      1bn3
      1bn4
      1bnm
      1bnn
      1bnq
      1bnt
      1bnu
      1bnv
      1bnw
      1bv3
      1ca3
      1can
      1cc8
      1cim
      1cin
      1cjx
      1cni
      1cnj
      1cnw
      1cnx
      1cny
      1cra
      1crm
      1cwt
      1czm
      1czs
      1dbu
      1dhg
      1dkm
      1dkn
      1dko
      1dkp
      1dkq
      1dlq
      1dr4
    PDB 1dr5-1ht3
    PDB 1hzx-1mms
    PDB 1moo-1rhy
    PDB 1rnr-1zfk
    PDB 1zfq-2geh
    PDB 2gv9-2wcd
    PDB 2wiu-3k34
    PDB 3k4o-9ca2

Mercury in the structure of Crystal Structure Of Phytate Complex of Escherichia Coli Phytase At pH 6.6. Phytate Is Bound With Its 3-Phosphate in the Active Site. HG2+ Cation Acts As An Intermolecular Bridge (pdb 1dkp)






The binding sites of Mercury atom in the structure of Crystal Structure Of Phytate Complex of Escherichia Coli Phytase At pH 6.6. Phytate Is Bound With Its 3-Phosphate in the Active Site. HG2+ Cation Acts As An Intermolecular Bridge (pdb code 1dkp). This binding sites where shown with 5.0 Angstroms radius around Mercury atom.
The 1dkp structure was solved by D.LIM, S.GOLOVAN, C.W.FORSBERG, Z.JIA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)25.0-2.3
Space groupP212121
a (A)70.573
b (A)75.127
c (A)90.393
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)18.9
Rfree (%)22.7


Mercury Binding Sites:

Mercury binding site 1 out of 4 in 1dkp


Mercury binding site 1 out of 4 in 1dkp
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stereopicture of Mercury binding site 1 out of 4 in 1dkp
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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Mercury in the PDB 1dkp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Thr111, A: His113, A: Tyr289, A: Gly290, A: Hoh613, A: Hoh798, A: Hoh820,

conact list:


AtomAtomDistance (A)
HgCG2 A:Thr1114.81
HgNE2 A:His1134.71
HgCB A:His1133.45
HgND1 A:His1132.59
HgCD2 A:His1134.62
HgCE1 A:His1133.65
HgCG A:His1133.40
HgCA A:His1134.10
HgO A:Tyr2892.88
HgC A:Tyr2894.00
HgCA A:Tyr2894.98
HgN A:Gly2904.75
HgCA A:Gly2904.60
HgO A:Hoh6132.83
HgO A:Hoh7984.41
HgO A:Hoh8203.07

interactive model:


Mercury binding site 2 out of 4 in 1dkp


Mercury binding site 2 out of 4 in 1dkp
Click to enlarge
stereopicture of Mercury binding site 2 out of 4 in 1dkp
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Mercury in the PDB 1dkp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Thr277, A: His282, A: Pro283, A: Gln285, A: Gln287, A: Leu293, A: Pro294, A: Hoh865, A: Hoh866,

conact list:


AtomAtomDistance (A)
HgOG1 A:Thr2774.25
HgNE2 A:His2822.62
HgND1 A:His2824.64
HgCD2 A:His2823.46
HgCE1 A:His2823.59
HgCG A:His2824.61
HgO A:Pro2834.52
HgO A:Gln2854.50
HgN A:Gln2854.90
HgOE1 A:Gln2853.14
HgCB A:Gln2854.90
HgCD A:Gln2853.71
HgCG A:Gln2853.46
HgOE1 A:Gln2873.07
HgCB A:Gln2874.84
HgCD A:Gln2874.25
HgCG A:Gln2874.90
HgO A:Leu2932.74
HgN A:Leu2934.57
HgCB A:Leu2934.04
HgC A:Leu2933.50
HgCA A:Leu2934.27
HgN A:Pro2944.25
HgCD A:Pro2944.42
HgO A:Hoh8652.85
HgO A:Hoh8662.79

interactive model:


Mercury binding site 3 out of 4 in 1dkp


Mercury binding site 3 out of 4 in 1dkp
Click to enlarge
stereopicture of Mercury binding site 3 out of 4 in 1dkp
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Mercury in the PDB 1dkp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Arg16, A: Glu219, A: His250, A: Phe254, A: Asp304, A: Asp325, A: Thr327, A: Hg503, A: Ihp550,

conact list:


AtomAtomDistance (A)
HgCD A:Arg164.82
HgCZ A:Arg163.22
HgNE A:Arg164.15
HgNH2 A:Arg163.33
HgNH1 A:Arg162.85
HgOE1 A:Glu2193.26
HgCB A:Glu2194.86
HgOE2 A:Glu2192.99
HgCD A:Glu2193.19
HgCG A:Glu2194.16
HgNE2 A:His2502.62
HgND1 A:His2504.55
HgCD2 A:His2503.55
HgCE1 A:His2503.46
HgCG A:His2504.62
HgCZ A:Phe2544.79
HgCB A:Asp3044.05
HgOD1 A:Asp3043.02
HgCG A:Asp3043.96
HgOD2 A:Asp3252.76
HgOD1 A:Asp3253.70
HgCG A:Asp3253.61
HgO A:Thr3273.56
HgOG1 A:Thr3274.16
HgC A:Thr3274.51
HgHG A:Hg5031.67
HgO34 A:Ihp5504.93
HgP4 A:Ihp5504.55
HgO24 A:Ihp5503.19

interactive model:


Mercury binding site 4 out of 4 in 1dkp


Mercury binding site 4 out of 4 in 1dkp
Click to enlarge
stereopicture of Mercury binding site 4 out of 4 in 1dkp
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Mercury in the PDB 1dkp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Mercury atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Arg16, A: Glu219, A: His250, A: Phe254, A: Asp304, A: Asp325, A: Thr327, A: Pro328, A: Hg502, A: Ihp550, A: Hoh604,

conact list:


AtomAtomDistance (A)
HgCZ A:Arg164.22
HgNE A:Arg164.80
HgNH2 A:Arg164.66
HgNH1 A:Arg163.78
HgOE1 A:Glu2194.84
HgOE2 A:Glu2194.23
HgCD A:Glu2194.72
HgNE2 A:His2502.73
HgND1 A:His2504.86
HgCD2 A:His2503.36
HgCE1 A:His2503.89
HgCG A:His2504.64
HgCE2 A:Phe2544.40
HgCD1 A:Phe2544.98
HgCD2 A:Phe2544.83
HgCZ A:Phe2544.26
HgCE1 A:Phe2544.57
HgCB A:Asp3043.57
HgOD1 A:Asp3043.30
HgCG A:Asp3043.87
HgCA A:Asp3044.99
HgCB A:Asp3254.87
HgOD2 A:Asp3253.05
HgOD1 A:Asp3252.89
HgCG A:Asp3253.36
HgO A:Thr3272.99
HgN A:Thr3274.28
HgCB A:Thr3273.75
HgCG2 A:Thr3274.96
HgOG1 A:Thr3272.59
HgC A:Thr3273.72
HgCA A:Thr3274.17
HgN A:Pro3284.69
HgHG A:Hg5021.67
HgO24 A:Ihp5504.37
HgO A:Hoh6043.68

interactive model:




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